High order finite difference methods with subcell resolution for advection equations with stiff source terms

A new high order finite-difference method utilizing the idea of Harten ENO subcell resolution method is proposed for chemical reactive flows and combustion. In reaction problems, when the reaction time scale is very small, e.g., orders of magnitude smaller than the fluid dynamics time scales, the governing equations will become very stiff. Wrong propagation speed of discontinuity may occur due to the underresolved numerical solution in both space and time. The present proposed method is a modified fractional step method which solves the convection step and reaction step separately. In the convection step, any high order shock-capturing method can be used. In the reaction step, an ODE solver is applied but with the computed flow variables in the shock region modified by the Harten subcell resolution idea. For numerical experiments, a fifth-order finite-difference WENO scheme and its anti-diffusion WENO variant are considered. A wide range of 1D and 2D scalar and Euler system test cases are investigated. Studies indicate that for the considered test cases, the new method maintains high order accuracy in space for smooth flows, and for stiff source terms with discontinuities, it can capture the correct propagation speed of discontinuities in very coarse meshes with reasonable CFL numbers.     

Robust high order discontinuous Galerkin schemes for two-dimensional gaseous detonations

One of the main challenges in computational simulations of gas detonation propagation is that negative density or negative pressure may emerge during the time evolution, which will cause blow-ups. Therefore, schemes with provable positivity-preserving of density and pressure are desired. First order and second order positivity-preserving schemes were well studied, e.g., [6], [10]. For high order discontinuous Galerkin (DG) method, even though the characteristicwise TVB limiter in [1], [2] can kill oscillations, it is not sufficient to maintain the positivity. A simple solution for arbitrarily high order positivity-preserving schemes solving Euler equations was proposed recently in [22]. In this paper, we first discuss an extension of the technique in [22], [23], [24] to design arbitrarily high order positivity-preserving DG schemes for reactive Euler equations. We then present a simpler and more robust implementation of the positivity-preserving limiter than the one in [22]. Numerical tests, including very demanding examples in gaseous detonations, indicate that the third order DG scheme with the new positivity-preserving limiter produces satisfying results even without the TVB limiter.     

双壳程连续螺旋折流板换热器的数值模拟

本文提出了一种新型的双壳程连续螺旋折流板换热器。采用数值模拟方法对双壳程、单壳程连续螺折流板换热器,以及弓形折流板换热器壳侧流动与传热持性进行了对比研究。结果表明,同质量流量和对流换热系数近似相等的情况下,双壳程连续螺旋折流板换热器壳程压降比弓形折流板换热器低17.7%～23.5%,同质量流量和壳程压降近似相等的情况下,其对流换热系数比单壳程连续螺旋折流板换热器高7.1%～12.6%。     

Bulk Modulus and Electronic Band Structure of ZnGa2Xa （X=S,Se）： a First-Principles Study

First-principles local density functional calculations are presented for the compounds ZnGa2X4 （X = S, Se）. We investigate the bulk moduli and electronic band structures in a defect chalcopyrite structure. The lattice constants and internal parameters are optimized. The electronic structures are analysed with the help of total and partial density of states. The relation between the cohesive energy and the unit cell volume is obtained by fully relaxed structures. We derive the bulk modulus of ZnGa2Xa by fitting the Birch-Murnaghan＇s equation of state. The extended Cohen＇s empirical formula agrees well with our ab initio results.     

Absorption Enhancement of Ultrathin Crystalline Silicon Solar Cells with Dielectric Si_3N_4 Nanostructures

A design of ultrathin crystalline silicon solar cell with Si3 N4 circular truncated cone holes(CTCs) arrays on the top is proposed. In this article, we perform an optical simulation of the structure. The finite-difference time-domain method is used to calculate the optical absorption of different periods, radius of top and bottom circles and depth of Si3 N4 CTCs. The short-circuit current density generated by the optimized cells(30.17 mA/cm~2) is 32.44% more than the value gained by control group(with flat Si3 N4). Then adding a layer of back silver to allow us to better analyze optical absorption. Later, we simulate the optimization of the same configuration of different silicon thicknesses andfind that our structure does enhance the light absorption. This work uses a combined path towards achieving higher photocurrent ultrathin crystalline silicon solar cells by constructing the texture of anti-reflection coating.     

基于SRLG约束和资源共享的交迭段保护机制研究

通过对共享风险链路组约束机制和交迭段保护机制的分析,将两者相结合并根据工作和保护路径分别采用动态链路权重调整,提出了一种基于共享风险链路组不相关的交迭段共享保护算法.交迭段共享保护算法在共享风险链路组不相关的约束条件下,为整个工作路由提供了多个交迭的保护段,并给出了一种能够合理有效选择这些交迭保护段的方法.对交迭段共享保护算法的分析和仿真结果表明,与以往保护算法相比,交迭段共享保护算法不但大大提高了网络连接的可靠性,而且还通过不同交迭保护段间资源的合理共享,有效地提高了网络资源的利用率.     

刻槽结构高功率微波输出窗次级电子倍增效应

从理论上分析了周期性矩形刻槽对喇叭天线输出窗真空侧次级电子倍增的影响。采用动力学方法分析得到电子沿介质窗表面运动的渡越时间和碰撞能量,验证得到一定尺寸的矩形刻槽介质窗可以有效抑制次级电子倍增效应。在此情况下,对比了刻槽和不刻槽两种输出窗的辐射特性,发现周期2 mm、宽度1 mm、深度1 mm的矩形刻槽对介质窗辐射特性的影响可以忽略。     

Structure and detonation performance of a novel HMX/LLM‐105 cocrystal explosive

Intermolecular interactions and properties of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐ tetrazocine (HMX) / 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) cocrystal were studied by using the dispersion‐corrected density functionals (ωB97XD, B97D) and meta‐hybrid functional (M062x) methods. Binding energies, heats of formation, thermodynamic properties, atoms in molecules, and natural bond orbital analysis were performed to investigate HMX/LLM‐105 complexes. Results show that the main intermolecular interactions between HMX and LLM‐105 are CH…O, NH…O, N…O, and O…O interactions. In addition, Monte Carlo simulation was employed to predict the crystal structure of HMX/LLM‐105 cocrystal. The HMX/LLM‐105 cocrystal is most likely to crystallize in C2/c space group, and its corresponding cell parameters are Z = 8, a = 41.63 Å, b = 6.77 Å, c = 45.63 Å, ß = 164.55°, and ρ = 1.99 g/cm³. Detonation velocity and pressure of HMX/LLM‐105 cocrystal are 8.95 km/s, 37.69GPa, a little lower than those of HMX (9.10 km/s, 37.76GPa). However, according to the net charges of nitro group, HMX/LLM‐105 cocrystal exhibits less sensitive than HMX. Finally, bond dissociation energy calculation shows that HMX/LLM‐105 complexes are thermally stable. Considering thermal stability, sensitivity, and detonation performance, HMX/LLM‐105 cocrystal meets the requirements of insensitive high energy density materials. Copyright © 2013 John Wiley & Sons, Ltd.     

空间调制干涉光谱成像仪星上定标系统研究

经计算推导和实验,研究设计了空间调制干涉光谱仪的星上定标系统,并进行了实验室光谱测试和航天元件的多种环境测试.解决了空间调制干涉光谱仪星上定标技术的关键组件定标光源、光谱滤光片、积分球组件的技术难点.实现了全孔径、部分视场的相对光谱定标,得到了星上定标光谱和干涉图.     

有分压电阻和e偏振非相干背景光辐照的光折变晶体中非相干耦合空间孤子对

为了得到光折变晶体中非相干耦合空间孤子对统一理论的结果,基于单光子光折变空间光孤子的基本理论模型,建立了稳态条件下有分压电阻和e偏振非相干均匀背景光辐照的单光子光伏光折变晶体中非相干耦合空间孤子对理论. 研究表明:这种孤子对是由两束偏振方向和波长都相同的互不相干光束耦合形成的, 孤子对两光束都能在晶体中稳定传播;当分压电阻、e偏振背景光、外加电场和光伏场取不同值时, 可获得14种光折变非相干耦合空间孤子对. 本文的结果对完善和充实光折变空间孤子理论体系有重要意义.